14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;9-N,14-N-bis(3,5-dimethylphenyl)-9-N,14-N-dinaphthalen-2-yl-22,22-diphenyl-12-oxa-19-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-9,14-diamine;2,7-ditert-butyl-22',22'-dimethyl-3-N',19-N'-diphenyl-3-N',19-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene]-3',19'-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine

C440H314F3N19O3S2 — CID 158817711

About 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;9-N,14-N-bis(3,5-dimethylphenyl)-9-N,14-N-dinaphthalen-2-yl-22,22-diphenyl-12-oxa-19-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-9,14-diamine;2,7-ditert-butyl-22',22'-dimethyl-3-N',19-N'-diphenyl-3-N',19-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene]-3',19'-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine

14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;9-N,14-N-bis(3,5-dimethylphenyl)-9-N,14-N-dinaphthalen-2-yl-22,22-diphenyl-12-oxa-19-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-9,14-diamine;2,7-ditert-butyl-22',22'-dimethyl-3-N',19-N'-diphenyl-3-N',19-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene]-3',19'-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine (PubChem CID 158817711) has the molecular formula C440H314F3N19O3S2 and a molecular weight of 6036.61 g/mol. Its IUPAC name is 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;9-N,14-N-bis(3,5-dimethylphenyl)-9-N,14-N-dinaphthalen-2-yl-22,22-diphenyl-12-oxa-19-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-9,14-diamine;2,7-ditert-butyl-22',22'-dimethyl-3-N',19-N'-diphenyl-3-N',19-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene]-3',19'-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine.

Molecular Properties

• Compound Name: 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;9-N,14-N-bis(3,5-dimethylphenyl)-9-N,14-N-dinaphthalen-2-yl-22,22-diphenyl-12-oxa-19-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-9,14-diamine;2,7-ditert-butyl-22',22'-dimethyl-3-N',19-N'-diphenyl-3-N',19-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene]-3',19'-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine
• PubChem CID: 158817711
• Molecular Formula: C440H314F3N19O3S2
• Molecular Weight: 6036.61 g/mol
• Exact Mass: 6031.44
• IUPAC Name: 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;9-N,14-N-bis(3,5-dimethylphenyl)-9-N,14-N-dinaphthalen-2-yl-22,22-diphenyl-12-oxa-19-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-9,14-diamine;2,7-ditert-butyl-22',22'-dimethyl-3-N',19-N'-diphenyl-3-N',19-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene]-3',19'-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine
• SMILES: CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2cc3c(cc2-c2c1cc1ccccc1c2N(c1ccccc1)c1ccc(-c2ccccc2)cc1)C(C)(C)c1cc(N(c2ccccc2)c2ccc(-c4ccccc4)cc2)ccc1-3.CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4c5c(N(c6ccccc6)c6ccc7c(c6)-c6ccccc6C7(C)C)c6c(cc5n(-c5cccc(-c7ccccc7)c5)c4c3)-c3c(ccc4ccccc34)C6(C)C)ccc21.Cc1cc(C)cc(N(c2ccc3ccccc3c2)c2cc3oc4c(N(c5cc(C)cc(C)c5)c5ccc6ccccc6c5)c5c(cc4c3c3ccccc23)C(c2ccccc2)(c2ccccc2)c2cnccc2-5)c1.Cc1ccc(N(c2ccccc2)c2c3c(cc4c2sc2cc(N(c5ccccc5)c5ccc(C(F)(F)F)c6ccccc56)ccc24)C(C)(C)c2c-3ccc3ccccc23)c2ccccc12.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc4c(sc5c6ccccc6ccc45)c(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)c2-3)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2ccc3c4c(ccc3c2)-c2c(cc3c5ccccc5n(-c5ccccc5)c3c2N(c2ccccc2)c2ncccc2-c2ccccn2)C42c3ccccc3-c3ccccc32)c2ncccc2-c2ccccn2)cc1
• InChI: InChI=1S/C85H65N3.C82H68N2.C73H47N7.C71H42N2O2S.C70H51N3O.C59H41F3N2S/c1-83(2)72-38-20-18-36-66(72)69-50-62(42-46-74(69)83)86(60-33-22-29-57(48-60)54-24-10-7-11-25-54)64-41-44-68-77(52-64)88(61-34-23-30-58(49-61)55-26-12-8-13-27-55)78-53-71-79-65-35-17-16-28-56(65)40-45-76(79)85(5,6)81(71)82(80(68)78)87(59-31-14-9-15-32-59)63-43-47-75-70(51-63)67-37-19-21-39-73(67)84(75,3)4;1-79(2,3)58-37-44-66-67-45-38-59(80(4,5)6)49-74(67)82(73(66)48-58)75-51-69-68-46-43-64(83(60-28-17-11-18-29-60)62-39-33-55(34-40-62)53-23-13-9-14-24-53)50-71(68)81(7,8)72(69)52-70(75)77-76(82)47-57-27-21-22-32-65(57)78(77)84(61-30-19-12-20-31-61)63-41-35-56(36-42-63)54-25-15-10-16-26-54;1-4-22-49(23-5-1)78(71-57(31-20-44-76-71)64-35-16-18-42-74-64)52-39-41-53-48(46-52)38-40-59-67-63(73(68(53)59)61-33-13-10-28-54(61)55-29-11-14-34-62(55)73)47-60-56-30-12-15-37-66(56)79(50-24-6-2-7-25-50)69(60)70(67)80(51-26-8-3-9-27-51)72-58(32-21-45-77-72)65-36-17-19-43-75-65;1-3-18-44(19-4-1)72(47-32-36-54-52-25-11-15-29-63(52)74-65(54)40-47)46-34-38-57-61(39-46)71(59-27-13-9-23-50(59)51-24-10-14-28-60(51)71)62-42-58-56-35-31-43-17-7-8-22-49(43)69(56)76-70(58)68(67(57)62)73(45-20-5-2-6-21-45)48-33-37-55-53-26-12-16-30-64(53)75-66(55)41-48;1-44-33-45(2)36-56(35-44)72(54-29-27-48-17-11-13-19-50(48)39-54)64-42-65-66(59-26-16-15-25-58(59)64)61-41-62-67(60-31-32-71-43-63(60)70(62,52-21-7-5-8-22-52)53-23-9-6-10-24-53)68(69(61)74-65)73(57-37-46(3)34-47(4)38-57)55-30-28-49-18-12-14-20-51(49)40-55;1-36-26-32-52(44-24-14-12-21-41(36)44)64(39-19-8-5-9-20-39)56-54-47-29-27-37-16-10-11-22-42(37)55(47)58(2,3)50(54)35-48-46-30-28-40(34-53(46)65-57(48)56)63(38-17-6-4-7-18-38)51-33-31-49(59(60,61)62)43-23-13-15-25-45(43)51/h7-53H,1-6H3;9-52H,1-8H3;1-47H;1-42H;5-43H,1-4H3;4-35H,1-3H3
• InChIKey: IVLZHCRNQOXEFB-UHFFFAOYSA-N
• XLogP: 120.98
• TPSA: 152.61 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 46
• Heavy Atoms: 467
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6036.61
LogP ≤ 5	120.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;9-N,14-N-bis(3,5-dimethylphenyl)-9-N,14-N-dinaphthalen-2-yl-22,22-diphenyl-12-oxa-19-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-9,14-diamine;2,7-ditert-butyl-22',22'-dimethyl-3-N',19-N'-diphenyl-3-N',19-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene]-3',19'-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine?

The IUPAC name of 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;9-N,14-N-bis(3,5-dimethylphenyl)-9-N,14-N-dinaphthalen-2-yl-22,22-diphenyl-12-oxa-19-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-9,14-diamine;2,7-ditert-butyl-22',22'-dimethyl-3-N',19-N'-diphenyl-3-N',19-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene]-3',19'-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine (CID 158817711) is 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;9-N,14-N-bis(3,5-dimethylphenyl)-9-N,14-N-dinaphthalen-2-yl-22,22-diphenyl-12-oxa-19-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-9,14-diamine;2,7-ditert-butyl-22',22'-dimethyl-3-N',19-N'-diphenyl-3-N',19-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene]-3',19'-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine.

What is the SMILES notation for 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;9-N,14-N-bis(3,5-dimethylphenyl)-9-N,14-N-dinaphthalen-2-yl-22,22-diphenyl-12-oxa-19-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-9,14-diamine;2,7-ditert-butyl-22',22'-dimethyl-3-N',19-N'-diphenyl-3-N',19-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene]-3',19'-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine?

The canonical SMILES for 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;9-N,14-N-bis(3,5-dimethylphenyl)-9-N,14-N-dinaphthalen-2-yl-22,22-diphenyl-12-oxa-19-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-9,14-diamine;2,7-ditert-butyl-22',22'-dimethyl-3-N',19-N'-diphenyl-3-N',19-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene]-3',19'-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2cc3c(cc2-c2c1cc1ccccc1c2N(c1ccccc1)c1ccc(-c2ccccc2)cc1)C(C)(C)c1cc(N(c2ccccc2)c2ccc(-c4ccccc4)cc2)ccc1-3.CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4c5c(N(c6ccccc6)c6ccc7c(c6)-c6ccccc6C7(C)C)c6c(cc5n(-c5cccc(-c7ccccc7)c5)c4c3)-c3c(ccc4ccccc34)C6(C)C)ccc21.Cc1cc(C)cc(N(c2ccc3ccccc3c2)c2cc3oc4c(N(c5cc(C)cc(C)c5)c5ccc6ccccc6c5)c5c(cc4c3c3ccccc23)C(c2ccccc2)(c2ccccc2)c2cnccc2-5)c1.Cc1ccc(N(c2ccccc2)c2c3c(cc4c2sc2cc(N(c5ccccc5)c5ccc(C(F)(F)F)c6ccccc56)ccc24)C(C)(C)c2c-3ccc3ccccc23)c2ccccc12.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc4c(sc5c6ccccc6ccc45)c(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)c2-3)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2ccc3c4c(ccc3c2)-c2c(cc3c5ccccc5n(-c5ccccc5)c3c2N(c2ccccc2)c2ncccc2-c2ccccn2)C42c3ccccc3-c3ccccc32)c2ncccc2-c2ccccn2)cc1.

What is the InChIKey of 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;9-N,14-N-bis(3,5-dimethylphenyl)-9-N,14-N-dinaphthalen-2-yl-22,22-diphenyl-12-oxa-19-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-9,14-diamine;2,7-ditert-butyl-22',22'-dimethyl-3-N',19-N'-diphenyl-3-N',19-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene]-3',19'-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine?

The InChIKey is IVLZHCRNQOXEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H65N3.C82H68N2.C73H47N7.C71H42N2O2S.C70H51N3O.C59H41F3N2S/c1-83(2)72-38-20-18-36-66(72)69-50-62(42-46-74(69)83)86(60-33-22-29-57(48-60)54-24-10-7-11-25-54)64-41-44-68-77(52-64)88(61-34-23-30-58(49-61)55-26-12-8-13-27-55)78-53-71-79-65-35-17-16-28-56(65)40-45-76(79)85(5,6)81(71)82(80(68)78)87(59-31-14-9-15-32-59)63-43-47-75-70(51-63)67-37-19-21-39-73(67)84(75,3)4;1-79(2,3)58-37-44-66-67-45-38-59(80(4,5)6)49-74(67)82(73(66)48-58)75-51-69-68-46-43-64(83(60-28-17-11-18-29-60)62-39-33-55(34-40-62)53-23-13-9-14-24-53)50-71(68)81(7,8)72(69)52-70(75)77-76(82)47-57-27-21-22-32-65(57)78(77)84(61-30-19-12-20-31-61)63-41-35-56(36-42-63)54-25-15-10-16-26-54;1-4-22-49(23-5-1)78(71-57(31-20-44-76-71)64-35-16-18-42-74-64)52-39-41-53-48(46-52)38-40-59-67-63(73(68(53)59)61-33-13-10-28-54(61)55-29-11-14-34-62(55)73)47-60-56-30-12-15-37-66(56)79(50-24-6-2-7-25-50)69(60)70(67)80(51-26-8-3-9-27-51)72-58(32-21-45-77-72)65-36-17-19-43-75-65;1-3-18-44(19-4-1)72(47-32-36-54-52-25-11-15-29-63(52)74-65(54)40-47)46-34-38-57-61(39-46)71(59-27-13-9-23-50(59)51-24-10-14-28-60(51)71)62-42-58-56-35-31-43-17-7-8-22-49(43)69(56)76-70(58)68(67(57)62)73(45-20-5-2-6-21-45)48-33-37-55-53-26-12-16-30-64(53)75-66(55)41-48;1-44-33-45(2)36-56(35-44)72(54-29-27-48-17-11-13-19-50(48)39-54)64-42-65-66(59-26-16-15-25-58(59)64)61-41-62-67(60-31-32-71-43-63(60)70(62,52-21-7-5-8-22-52)53-23-9-6-10-24-53)68(69(61)74-65)73(57-37-46(3)34-47(4)38-57)55-30-28-49-18-12-14-20-51(49)40-55;1-36-26-32-52(44-24-14-12-21-41(36)44)64(39-19-8-5-9-20-39)56-54-47-29-27-37-16-10-11-22-42(37)55(47)58(2,3)50(54)35-48-46-30-28-40(34-53(46)65-57(48)56)63(38-17-6-4-7-18-38)51-33-31-49(59(60,61)62)43-23-13-15-25-45(43)51/h7-53H,1-6H3;9-52H,1-8H3;1-47H;1-42H;5-43H,1-4H3;4-35H,1-3H3.

What are the key properties of 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;9-N,14-N-bis(3,5-dimethylphenyl)-9-N,14-N-dinaphthalen-2-yl-22,22-diphenyl-12-oxa-19-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-9,14-diamine;2,7-ditert-butyl-22',22'-dimethyl-3-N',19-N'-diphenyl-3-N',19-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene]-3',19'-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine?

14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;9-N,14-N-bis(3,5-dimethylphenyl)-9-N,14-N-dinaphthalen-2-yl-22,22-diphenyl-12-oxa-19-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-9,14-diamine;2,7-ditert-butyl-22',22'-dimethyl-3-N',19-N'-diphenyl-3-N',19-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene]-3',19'-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine has a molecular weight of 6036.61 g/mol, XLogP of 120.98, 46 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 14-N,19-N-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-14-N-phenyl-19-N,22-bis(3-phenylphenyl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-14,19-diamine;9-N,14-N-bis(3,5-dimethylphenyl)-9-N,14-N-dinaphthalen-2-yl-22,22-diphenyl-12-oxa-19-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-9,14-diamine;2,7-ditert-butyl-22',22'-dimethyl-3-N',19-N'-diphenyl-3-N',19-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene]-3',19'-diamine;14-N,19-N-di(dibenzofuran-3-yl)-14-N,19-N-diphenylspiro[12-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene-22,9'-fluorene]-14,19-diamine;12,12-dimethyl-24-N-(4-methylnaphthalen-1-yl)-19-N,24-N-diphenyl-19-N-[4-(trifluoromethyl)naphthalen-1-yl]-22-thiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-19,24-diamine;7-N,24-N,22-triphenyl-7-N,24-N-bis(3-pyridin-2-yl-2-pyridinyl)spiro[22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5(10),6,8,14,16,18,20,23-undecaene-12,9'-fluorene]-7,24-diamine is sourced from PubChem (CID 158817711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).